Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | RORC | P51449 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5418590 | 0.85 | CYP2D6 (0.50) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL487152 | 0.84 | CYP2D6 (0.67) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL19122052 | 0.79 | CYP2D6 (0.51) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL23115 | 0.78 | CA2 (0.67) | THRBCA1CA2ACHEMEN1 | |
| SCHEMBL8223272 | 0.78 | THRB (0.51) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL14579648 | 0.75 | HTT (0.54) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL13239575 | 0.75 | CYP2D6 (0.47) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL23744 | 0.75 | CA12 (0.45) | THRBCA1CA2ACHEMEN1 | |
| SCHEMBL23489323 | 0.74 | MEN1 (0.49) | CYP2D6THRBRORCADRA2AADRA1A | |
| SCHEMBL23218 | 0.73 | RAB9A (0.46) | THRBADRA1ACA1CA2MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1033364-B1 | Cyano containing oxamic acids and derivatives as thyroid receptor ligands | PFIZER PROD INC (US) | 2005-02-23 | — | — | EP | disclosed |
| US-6194454-B1 | ANTILIPEMIC AGENTS; ANTIDIABETIC AGENTS; DIETETICS; RHEUMATIC DISEASES; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDEPRESSANTS; BONE DISORDERS | PFIZER INC. | 2001-02-27 | — | — | US | disclosed |
| EP-1033364-A1 | Cyano containing oxamic acids and derivatives as thyroid receptor ligands | Pfizer Products Inc. (US) | 2000-09-06 | — | — | EP | disclosed |